N-tert-butyl-3-[1-(methylamino)ethyl]piperidine-1-sulfonamide

C12H27N3O2S — CID 114803124

IUPACN-tert-butyl-3-[1-(methylamino)ethyl]piperidine-1-sulfonamide
SMILESCNC(C)C1CCCN(S(=O)(=O)NC(C)(C)C)C1
InChIInChI=1S/C12H27N3O2S/c1-10(13-5)11-7-6-8-15(9-11)18(16,17)14-12(2,3)4/h10-11,13-14H,6-9H2,1-5H3
InChIKeySAKMWUQUWMWQKV-UHFFFAOYSA-N
MW277.43 g/mol
LogP0.94
Rot. Bonds4

About N-tert-butyl-3-[1-(methylamino)ethyl]piperidine-1-sulfonamide

N-tert-butyl-3-[1-(methylamino)ethyl]piperidine-1-sulfonamide (PubChem CID 114803124) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is N-tert-butyl-3-[1-(methylamino)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-3-[1-(methylamino)ethyl]piperidine-1-sulfonamide
PubChem CID114803124
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC NameN-tert-butyl-3-[1-(methylamino)ethyl]piperidine-1-sulfonamide
SMILESCNC(C)C1CCCN(S(=O)(=O)NC(C)(C)C)C1
InChIInChI=1S/C12H27N3O2S/c1-10(13-5)11-7-6-8-15(9-11)18(16,17)14-12(2,3)4/h10-11,13-14H,6-9H2,1-5H3
InChIKeySAKMWUQUWMWQKV-UHFFFAOYSA-N
XLogP0.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide
CID 114803113
N-methyl-1-[1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine
CID 63852792
N-methyl-1-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine
CID 63852791
1-(tert-butylsulfamoyl)piperidine-3-carboximidamide
CID 114813519
N-cyclopropyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide
CID 114803111
1-[1-(3,3-dimethylbutyl)piperidin-3-yl]-N-methylethanamine
CID 63855330
N-tert-butyl-4-hydroxy-3-methylpiperidine-1-sulfonamide
CID 114809879
N-methyl-1-(1-methylazepan-3-yl)ethanamine
CID 83905848
methyl 3-[1-(methylamino)ethyl]piperidine-1-carboxylate
CID 83880752
N-methyl-1-[1-(4-methylsulfonylphenyl)piperidin-3-yl]ethanamine
CID 63854393
3-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)piperidine-1-sulfonamide
CID 106091198
4-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 114803126

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[1-(methylamino)ethyl]piperidine-1-sulfonamide?
The IUPAC name of N-tert-butyl-3-[1-(methylamino)ethyl]piperidine-1-sulfonamide (CID 114803124) is N-tert-butyl-3-[1-(methylamino)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-tert-butyl-3-[1-(methylamino)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for N-tert-butyl-3-[1-(methylamino)ethyl]piperidine-1-sulfonamide is CNC(C)C1CCCN(S(=O)(=O)NC(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-3-[1-(methylamino)ethyl]piperidine-1-sulfonamide?
The InChIKey is SAKMWUQUWMWQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-10(13-5)11-7-6-8-15(9-11)18(16,17)14-12(2,3)4/h10-11,13-14H,6-9H2,1-5H3.
What are the key properties of N-tert-butyl-3-[1-(methylamino)ethyl]piperidine-1-sulfonamide?
N-tert-butyl-3-[1-(methylamino)ethyl]piperidine-1-sulfonamide has a molecular weight of 277.43 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[1-(methylamino)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 114803124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).